{"id":"W2319989806","doi":"10.1021/jm401576x","title":"Evidence for Two Populated Conformations for the Dimeric Le<sup>X</sup> and Le<sup>A</sup>Le<sup>X</sup> Tumor-Associated Carbohydrate Antigens","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Glycosylation and Glycoproteins Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada","keywords":"Trisaccharide; Chemistry; Glycosidic bond; Carbohydrate conformation; Stereochemistry; Glycoside; Nuclear magnetic resonance spectroscopy; Carbohydrate; Carbohydrate chemistry; Tumor associated antigen; Crystallography; Biochemistry; Antibody; Enzyme","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001289628,0.000252024,0.0002534682,0.0001342383,0.0003039278,0.0004104692,0.0003488744,0.0003095519,0.00201203],"category_scores_gemma":[0.0003363385,0.0002408359,0.0001979651,0.0001673415,0.0003707923,0.0004011778,0.0002094423,0.0005146202,0.0001831852],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003017204,"about_ca_system_score_gemma":0.0003186763,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006906777,"about_ca_topic_score_gemma":0.0007171999,"domain_scores_codex":[0.9999328,0.000009427371,0.000004025756,0.00002340553,0.00001562337,0.00001473743],"domain_scores_gemma":[0.9998228,0.00006425637,0.00003184293,0.00001459148,0.00002409965,0.00004244608],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.002397435,0.0005197406,0.01941479,0.0002792852,0.0001632528,0.0005927871,0.0004354323,0.03362433,0.9217672,0.006969,0.0009924158,0.0128443],"study_design_scores_gemma":[0.0003557901,0.0013374,0.02633424,0.00003798136,0.000124026,0.0006092255,0.0006272985,0.4654928,0.4983167,0.003898101,0.002738052,0.000128417],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958015,0.0001477348,0.003049169,0.00007541518,0.000007713673,0.00000959003,0.0001055329,0.00003816781,0.0007652288],"genre_scores_gemma":[0.9975719,0.00009224534,0.001848862,0.00003185373,0.000002092232,0.00001830242,0.0002162933,0.000009695513,0.0002086602],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00201203,"threshold_uncertainty_score":0.006730974,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02777737473777482,"score_gpt":0.3071192196734172,"score_spread":0.2793418449356424,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}